1-(4-fluorophenyl)-N-methyl-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}cyclopropane-1-carboxamide

• ChemBase ID: 865100
• Molecular Formular: C18H21FN2O2
• Molecular Mass: 316.3699432
• Monoisotopic Mass: 316.15870614
• SMILES: C1(C(=O)N(Cc2noc(c2)C(C)C)C)(CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1(CC1)C(=O)N(Cc1noc(c1)C(C)C)C
• InChI: InChI=1S/C18H21FN2O2/c1-12(2)16-10-15(20-23-16)11-21(3)17(22)18(8-9-18)13-4-6-14(19)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3
• InChIKey: USLKCNXACWVYLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-N-methyl-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-fluorophenyl)-N-[(5-isopropyl-1,2-oxazol-3-yl)methyl]-N-methylcyclopropane-1-carboxamide
• Synonyms: 1-(4-fluorophenyl)-N-[(5-isopropyl-3-isoxazolyl)methyl]-N-methylcyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2869263
• LogD (pH = 7.4): 3.2869272
• Log P: 3.2869272
• Molar Refractivity: 86.1486 cm^3
• Polarizability: 32.556236 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.28
• LOG S: -3.45
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5